3-(4-carboxylatoquinolin-3-yl)quinoline-4-carboxylate; 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 3-(4-carboxylatoquinolin-3-yl)quinoline-4-carboxylate; 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid Openeye Name: 3-(4-carboxylato-3-quinolyl)quinoline-4-carboxylate; 2-(4-carboxy-2-quinolyl)quinoline-4-carboxylic acid CAS Name: 3-(4-carboxylato-3-quinolinyl)-4-quinolinecarboxylate; 2-(4-carboxy-2-quinolinyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(4-carboxylatoquinolin-3-yl)quinoline-4-carboxylate; 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid Traditional Name: 3-(4-carboxylato-3-quinolyl)cinchoninate; 2-(4-carboxy-2-quinolyl)cinchoninic acid Formula: C40H22N4O8-2 MolecularWeight: 686.62468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)C(=O)O.C1=CC=C2C(=C1)C(=C(C=N2)C3=C(C4=CC=CC=C4N=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)C(=O)O.C1=CC=C2C(=C1)C(=C(C=N2)C3=C(C4=CC=CC=C4N=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C20H12N2O4/c23-19(24)17-11-5-1-3-7-15(11)21-9-13(17)14-10-22-16-8-4-2-6-12(16)18(14)20(25)26;23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18/h2*1-10H,(H,23,24)(H,25,26)/p-2